dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride

C42H60Cl2HfP2 — CID 21095924

IUPACdicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride
SMILESCCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C21H28P.C21H32P.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;;;/h7-10,15-16,19-20H,1-6,11-14H2;9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKDIPTEUUEDYHTB-UHFFFAOYSA-L
MW876.29 g/mol
LogP7.16
Rot. Bonds14

About dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride

dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride (PubChem CID 21095924) has the molecular formula C42H60Cl2HfP2 and a molecular weight of 876.29 g/mol. Its IUPAC name is dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride.

Molecular Properties

Compound Namedicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride
PubChem CID21095924
Molecular FormulaC42H60Cl2HfP2
Molecular Weight876.29 g/mol
Exact Mass876.30
IUPAC Namedicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride
SMILESCCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C21H28P.C21H32P.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;;;/h7-10,15-16,19-20H,1-6,11-14H2;9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKDIPTEUUEDYHTB-UHFFFAOYSA-L
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.29
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride?
The IUPAC name of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride (CID 21095924) is dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride.
What is the SMILES notation for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride?
The canonical SMILES for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride is CCCCCCP(CCCCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1.
What is the InChIKey of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride?
The InChIKey is KDIPTEUUEDYHTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H28P.C21H32P.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;;;/h7-10,15-16,19-20H,1-6,11-14H2;9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride?
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride has a molecular weight of 876.29 g/mol, XLogP of 7.16, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride is sourced from PubChem (CID 21095924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).